4-(1-Methylheptyloxycarbonyl)phenyl 4'-n-Nonanoyloxybiphenyl-4-carboxylate

HCID 15919277
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Basic information

Standard SMILES
CCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(C)CCCCCC)cc3)cc2)cc1
InChIKey
VPZVFNMLIVYVOB-UHFFFAOYSA-N
Molecular formula
C37H46O6
Average molar mass
586.8 g/mol
Monoisotopic mass
586.32943918

Names & identifiers

Preferred name
4-(1-Methylheptyloxycarbonyl)phenyl 4'-n-Nonanoyloxybiphenyl-4-carboxylate
IUPAC
(4-octan-2-yloxycarbonylphenyl) 4-(4-nonanoyloxyphenyl)benzoate

Names & synonyms

SCHEMBL9168415VPZVFNMLIVYVOB-UHFFFAOYSA-N4-(1-Methylheptyloxycarbonyl)phenyl 4'-n-Nonanoyloxybiphenyl-4-carboxylate

Database identifiers

PubChem CID
15919277
Nikkaji
J668.966C

Properties

Computed structural properties

XLogP
11.4
Topological polar surface area
78.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
21
Heavy atoms
43

Related reactions

1 records
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Compound notes

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